Medizinische Universität Graz Austria/Österreich - Forschungsportal - Medical University of Graz
Gewählte Publikation:
SHR Neuro Krebs Kardio Lipid Stoffw Microb
Pritišanac, I; Alderson, TR; Güntert, P.
Automated assignment of methyl NMR spectra from large proteins.
Prog Nucl Magn Reson Spectrosc. 2020; 118-119:54-73
Doi: 10.1016/j.pnmrs.2020.04.001
Web of Science
PubMed
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FullText_MUG
- Führende Autor*innen der Med Uni Graz
- Pritisanac Iva
- Co-Autor*innen der Med Uni Graz
- Alderson Thomas Reid
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- Abstract:
- As structural biology trends towards larger and more complex biomolecular targets, a detailed understanding of their interactions and underlying structures and dynamics is required. The development of methyl-TROSY has enabled NMR spectroscopy to provide atomic-resolution insight into the mechanisms of large molecular assemblies in solution. However, the applicability of methyl-TROSY has been hindered by the laborious and time-consuming resonance assignment process, typically performed with domain fragmentation, site-directed mutagenesis, and analysis of NOE data in the context of a crystal structure. In response, several structure-based automatic methyl assignment strategies have been developed over the past decade. Here, we present a comprehensive analysis of all available methods and compare their input data requirements, algorithmic strategies, and reported performance. In general, the methods fall into two categories: those that primarily rely on inter-methyl NOEs, and those that utilize methyl PRE- and PCS-based restraints. We discuss their advantages and limitations, and highlight the potential benefits from standardizing and combining different methods.
- Find related publications in this database (using NLM MeSH Indexing)
- Algorithms - administration & dosage
- Automation - administration & dosage
- Nuclear Magnetic Resonance, Biomolecular - methods
- Protein Domains - administration & dosage
- Proteins - chemistry, genetics
- Find related publications in this database (Keywords)
- methyl-TROSY
- Automatic resonance assignment
- Large proteins
- Molecular machines